[(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

C23H27N3O5 — CID 110198448

IUPAC[(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C(=O)N2C[C@@H](Oc3ccccc3)C[C@H]2C(=O)N2CCCC2)c(OC)n1
InChIInChI=1S/C23H27N3O5/c1-29-20-11-10-18(21(24-20)30-2)22(27)26-15-17(31-16-8-4-3-5-9-16)14-19(26)23(28)25-12-6-7-13-25/h3-5,8-11,17,19H,6-7,12-15H2,1-2H3/t17-,19-/m0/s1
InChIKeyUECKSSAQTNJUPE-HKUYNNGSSA-N
MW425.49 g/mol
LogP2.38
Rot. Bonds6

About [(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone

[(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 110198448) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is [(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID110198448
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name[(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C(=O)N2C[C@@H](Oc3ccccc3)C[C@H]2C(=O)N2CCCC2)c(OC)n1
InChIInChI=1S/C23H27N3O5/c1-29-20-11-10-18(21(24-20)30-2)22(27)26-15-17(31-16-8-4-3-5-9-16)14-19(26)23(28)25-12-6-7-13-25/h3-5,8-11,17,19H,6-7,12-15H2,1-2H3/t17-,19-/m0/s1
InChIKeyUECKSSAQTNJUPE-HKUYNNGSSA-N
XLogP2.38
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-N-methyl-4-phenoxypyrrolidine-2-carboxamide
CID 110198235
[(2S,4S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198486
[(2S,4S)-1-(4-methoxybenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198878
[(2S,4S)-1-(pyridine-2-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198917
[(2S,4S)-1-(isoquinoline-8-carbonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 138002534
1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone
CID 110198184
morpholin-4-yl-[4-phenoxy-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]methanone
CID 171142070
[(2S,4S)-1-(1-methylpyrrole-2-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198924
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 25459630
2-(4-fluorophenoxy)-1-[(2S,4S)-4-phenoxy-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 110198473
morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110198171
[(2S,4S)-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198873

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone (CID 110198448) is [(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is COc1ccc(C(=O)N2C[C@@H](Oc3ccccc3)C[C@H]2C(=O)N2CCCC2)c(OC)n1.
What is the InChIKey of [(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UECKSSAQTNJUPE-HKUYNNGSSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-29-20-11-10-18(21(24-20)30-2)22(27)26-15-17(31-16-8-4-3-5-9-16)14-19(26)23(28)25-12-6-7-13-25/h3-5,8-11,17,19H,6-7,12-15H2,1-2H3/t17-,19-/m0/s1.
What are the key properties of [(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 425.49 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110198448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).